N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C19H28N2O3 — CID 111446660

IUPACN-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C19H28N2O3/c1-4-13(2)19(3,24)12-20-17(22)10-9-15-11-14-7-5-6-8-16(14)21-18(15)23/h5-8,13,15,24H,4,9-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySKZSUALJCBTVAB-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.49
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 111446660) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID111446660
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESCCC(C)C(C)(O)CNC(=O)CCC1Cc2ccccc2NC1=O
InChIInChI=1S/C19H28N2O3/c1-4-13(2)19(3,24)12-20-17(22)10-9-15-11-14-7-5-6-8-16(14)21-18(15)23/h5-8,13,15,24H,4,9-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeySKZSUALJCBTVAB-UHFFFAOYSA-N
XLogP2.49
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 111446660) is N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is CCC(C)C(C)(O)CNC(=O)CCC1Cc2ccccc2NC1=O.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is SKZSUALJCBTVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-4-13(2)19(3,24)12-20-17(22)10-9-15-11-14-7-5-6-8-16(14)21-18(15)23/h5-8,13,15,24H,4,9-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 332.44 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 111446660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).